3-Methyl-4-nitrobenzonitrile

CAS Registry Number®

96784-54-2

CAS Name

3-Methyl-4-nitrobenzonitrile

Molecular Formula

C8H6N2O2

Molecular Mass

162.15

Cite this Page

3-Methyl-4-nitrobenzonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=96784-54-2 (retrieved 2024-11-24) (CAS RN: 96784-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80-81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6N2O2/c1-6-4-7(5-9)2-3-8(6)10(11)12/h2-4H,1H3

InChIKey

InChIKey=IHVNKSXTJZNBQA-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C)C=C(C#N)C=C1

Canonical SMILES

N#CC1=CC=C(C(=C1)C)N(=O)=O

Other Names for this Substance

  • Benzonitrile, 3-methyl-4-nitro-
  • m-Tolunitrile, 4-nitro-
  • 3-Methyl-4-nitrobenzonitrile
  • 4-Nitro-3-methylbenzonitrile

Deleted or Replaced CAS Registry Numbers

544696-43-7

CAS INSIGHTSTM
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